6-chloro-7-(3,3-dimethyl-2-oxobutoxy)-3-hexyl-4-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-chloro-7-(3,3-dimethyl-2-oxobutoxy)-3-hexyl-4-methyl-2H-1-benzopyran-2-one
6-chloro-7-(3,3-dimethyl-2-oxobutoxy)-3-hexyl-4-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-7588 |
| Compound Name: | 6-chloro-7-(3,3-dimethyl-2-oxobutoxy)-3-hexyl-4-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 392.92 |
| Molecular Formula: | C22 H29 Cl O4 |
| Smiles: | CCCCCCC1=C(C)c2cc(c(cc2OC1=O)OCC(C(C)(C)C)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 7.1727 |
| logD: | 7.1727 |
| logSw: | -6.4472 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.993 |
| InChI Key: | FIOHDNWQLJZYNH-UHFFFAOYSA-N |